• Title/Summary/Keyword: surface phase transition

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Investigation of the Scanning Tunneling Microscopy Image, the Stacking Pattern and the Bias-voltage Dependent Structural Instability of 2,2'-Bipyridine Molecules Adsorbed on Au(111) in Terms of Electronic Structure Calculations

  • Suh, Young-Sun;Park, Sung-Soo;Kang, Jin-Hee;Hwang, Yong-Gyoo;Jung, D.;Kim, Dong-Hee;Lee, Kee-Hag;Whangbo, M.-H.
    • Bulletin of the Korean Chemical Society
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    • v.29 no.2
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    • pp.438-444
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    • 2008
  • A self-assembled monolayer of 2,2'-bipyridine (22BPY) molecules on Au(111) underwent a structural phase transition when the polarity of a bias voltage was switched in scanning tunneling microscopy (STM) experiments. The nature of two bright spots representing each 22BPY molecule on Au(111) in the high-resolution STM images was identified by calculating the partial density plots for a monolayer of 22BPY molecules adsorbed on Au(111) using tight-binding electronic structure calculations. The stacking pattern of the chains of 22BPY molecules on Au(111) was explained by examining the intermolecular interactions between the 22BPY molecules based on first principles electronic structure calculations for a 22BPY dimer, (22BPY)2. The structural instability of the 22BPY molecule arrangement caused by a change in the bias voltage switch was investigated by estimating the adsorbate-surface interaction energy using a point-charge approximation for Au(111).

CeO2-Promoted Highly Active Catalyst, NiSO4/CeO2-ZrO2 for Ethylene Dimerization

  • Pae, Young-Il;Shin, Dong-Cheol;Sohn, Jong-Rack
    • Bulletin of the Korean Chemical Society
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    • v.27 no.12
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    • pp.1989-1996
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    • 2006
  • The $NiSO_4/CeO_2-ZrO_2 $catalysts containing different nickel sulfate and $CeO_2$ contents were prepared by the impregnation method, where support, $CeO_2-ZrO_2$was prepared by the coprecipitation method using a mixed aqueous solution of zirconium oxychloride and cerium nitrate solution followed by adding an aqueous ammonia solution. No diffraction line of nickel sulfate was observed up to 20 wt %, indicating good dispersion of nickel sulfate on the surface of $CeO_2-ZrO_2$. The addition of nickel sulfate (or $CeO_2$) to $ZrO_2$ shifted the phase transition of $ZrO_2$ from amorphous to tetragonal to higher temperatures because of the interaction between nickel sulfate (or $CeO_2$) and $ZrO_2$. A catalyst (10-$NiSO_4/1-CeO_2-ZrO_2$) containing 10 wt % $NiSO_4$ and 1 mole % $CeO_2$, and calcined at $600{^{\circ}C}$ exhibited a maximum catalytic activity for ethylene dimerization. The catalytic activities were correlated with the acidity of catalysts measured by the ammonia chemisorption method. The role of $CeO_2$was to form a thermally stable solid solution with zirconia and consequently to give high surface area, thermal stability and acidity of the sample.

Effects of Manganese Precursors on MnOx/TiO2 for Low-Temperature SCR of NOx (NOx제거용 MnOx-TiO2 계 저온형SCR 촉매의 Mn전구체에 따른 영향)

  • Kim, Janghoon;Shin, Byeong kil;Yoon, Sang hyeon;Lee, Hee soo;Lim, Hyung mi;Jeong, Yongkeun
    • Korean Journal of Metals and Materials
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    • v.50 no.3
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    • pp.201-205
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    • 2012
  • The effects of various manganese precursors for the low-temperature selective catalytic reduction (SCR) of $NO_x$ were investigated in terms of structural, morphological, and physico-chemical analyses. $MnO_x/TiO_2$ catalysts were prepared from three different precursors, manganese nitrate, manganese acetate(II), and manganese acetate(III), by the sol-gel method. The manganese acetate(III)-$MnO_x/TiO_2$ catalyst tended to suppress the phase transition from the anatase structure to the rutile or the brookite after calcination at $500^{\circ}C$ for 2 h. It also had a high specific surface area, which was caused by a smaller particle size and more uniform distribution than the others. The change of catalytic acid sites was confirmed by Raman and FT-IR spectroscopy and the manganese acetate(III)-$MnO_x/TiO_2$ had the strongest Lewis acid sites among them. The highest de-NOx efficiency and structural stability were achieved by using the manganese cetate(III) as a precursor, because of its high specific surface area, a large amount of anatase $TiO_2$, and the strong catalytic acidity.

Pyroelectricity of BaTiO3-doped PMNT ferroelectric system for pyroelectric sensor

  • Yeon Jung Kim
    • Journal of the Korean institute of surface engineering
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    • v.56 no.6
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    • pp.380-385
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    • 2023
  • In this study, an MPB PMNT system containing 0.05 to 0.10 wt.% BaTiO3 was synthesized using a traditional chemical method and its pyroelectricity was investigated. Pyroelectricity, dielectricity, and ferroelectricity of the synthesized BaTiO3-PMNT system were analyzed by heat treatment at 1240~1280 ℃ for 4 hours to evaluate its applicability as a pyroelectric sensor. Unlike the simple ABO3 ferroelectric, the BaTiO3-doped PMNT system exhibited phase transition characteristics over a wide temperature range typical of complex perovskite structures. Although no dramatic change could be confirmed depending on the amount of BaTiO3 added, stable pyroelectricity was maintained near room temperature and over a wide temperature range. When the amount of BaTiO3 added increased from 0.05BaTiO3-PMNT to 0.10BaTiO3-PMNT, the electric field slightly increased from 5.00×103 kV/m to 6.75×103 kV/m, and the maximum value of remanent polarization slightly increased from 0.223 C/m2 to 0.234 C/m2. The pyroelectric coefficients of 0.05BaTiO3-PMNT and 0.10BaTiO3- PMNT at room temperature were measured to be ~0.0084 C/m2K and ~0.0043 C/m2K, respectively. The relaxor ferroelectric properties of the BaTiO3-PMNT system were confirmed by analyzing the plot of Kmax/K versus (T-Tmax)γ. The BaTiO3-doped MPB PMNT system showed a distinct pyroelectric performance index at room temperature, and the values were Fv ~ 0.0362 m2/C, Fd ~ 0.575×10-4 Pa-1/2.

Preparation of Styrene-Ethyl acylate Core-shell Structured Detection Materials for aMeasurement of the Wall Contamination by Emulsion Polymerization

  • Hwang, Ho-Sang;Seo, Bum-Kyoung;Lee, Dong-Gyu;Lee, Kune-Woo
    • Proceedings of the Korean Radioactive Waste Society Conference
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    • 2009.06a
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    • pp.84-85
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    • 2009
  • New approaches for detecting, preventing and remedying environmental damage are important for protection of the environment. Procedures must be developed and implemented to reduce the amount of waste produced in chemical processes, to detect the presence and/or concentration of contaminants and decontaminate fouled environments. Contamination can be classified into three general types: airborne, surface and structural. The most dangerous type is airborne contamination, because of the opportunity for inhalation and ingestion. The second most dangerous type is surface contamination. Surface contamination can be transferred to workers by casual contact and if disturbed can easily be made airborne. The decontamination of the surface in the nuclear facilities has been widely studied with particular emphasis on small and large surfaces. The amount of wastes being produced during decommissioning of nuclear facilities is much higher than the total wastes cumulated during operation. And, the process of decommissioning has a strong possibility of personal's exposure and emission to environment of the radioactive contaminants, requiring through monitoring and estimation of radiation and radioactivity. So, it is important to monitor the radioactive contamination level of the nuclear facilities for the determination of the decontamination method, the establishment of the decommissioning planning, and the worker's safety. But it is very difficult to measure the surface contamination of the floor and wall in the highly contaminated facilities. In this study, the poly(styrene-ethyl acrylate) [poly(St-EA)] core-shell composite polymer for measurement of the radioactive contamination was synthesized by the method of emulsion polymerization. The morphology of the poly(St-EA) composite emulsion particle was core-shell structure, with polystyrene (PS)as the core and poly(ethyl acrylate) (PEA) as the shell. Core-shell polymers of styrene (St)/ethyl acrylate (EA) pair were prepared by sequential emulsion polymerization in the presence of sodium dodecyl sulfate (SOS) as an emulsifier using ammonium persulfate (APS) as an initiator. The polymer was made by impregnating organic scintillators, 2,5-diphenyloxazole (PPO) and 1,4-bis[5-phenyl-2-oxazol]benzene (POPOP). Related tests and analysis confirmed the success in synthesis of composite polymer. The products are characterized by IT-IR spectroscopy, TGA that were used, respectively, to show the structure, the thermal stability of the prepared polymer. Two-phase particles with a core-shell structure were obtained in experiments where the estimated glass transition temperature and the morphologies of emulsion particles. Radiation pollution level the detection about under using examined the beta rays. The morphology of the poly(St-EA) composite polymer synthesized by the method of emulsion polymerization was a core-shell structure, as shown in Fig. 1. Core-shell materials consist of a core structural domain covered by a shell domain. Clearly, the entire surface of PS core was covered by PEA. The inner region was a PS core and the outer region was a PEA shell. The particle size distribution showed similar in the range 350-360 nm.

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Luminescence Characterization of SrAl2O4:Ho3+ Green Phosphor Prepared by Spray Pyrolysis (분무열분해법으로 제조된 SrAl2O4:Ho3+ 녹색 형광체의 발광특성)

  • Jung, Kyeong Youl;Kim, Woo Hyun
    • Korean Chemical Engineering Research
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    • v.53 no.5
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    • pp.620-626
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    • 2015
  • $Ho^{3+}$ doped $SrAl_2O_4$ upconversion phosphor powders were synthesized by spray pyrolysis, and the crystallographic properties and luminescence characteristics were examined by varying activator concentrations and heattreatment temperatures. The effect of organic additives on the crystal structure and luminescent properties was also investigated. $SrAl_2O_4:Ho^{3+}$ powders showed intensive green emission due to the $^5F_4/^5S_2{\rightarrow}^5I_8$ transition of $Ho^{3+}$. The optimal $Ho^{3+}$ concentration in order to achieve the highest luminescence was 0.1%. Over this concentration, emission intensities were largely diminished via a concentration quenching due to dipole-dipole interaction between activator ions. According to the dependence of emission intensity on the pumping power of a laser diode, it was clear that the upconversion of $SrAl_2O_4:Ho^{3+}$ occurred via the ground state absorption-excited state absorption processes involving two near-IR photons. Synthesized powders were monoclinic as a major phase, having some hexagonal phase. The increase of heat-treatment temperatures from $1000^{\circ}C$ to $1350^{\circ}C$ led to crystallinity enhancement of monoclinic phase, reducing hexagonal phase. The hexagonal phase, however, did not disappear even at $1350^{\circ}C$. When both citric acid (CA) and ethylene glycol (EG) were added to the spray solution, the resulting powders had pure monoclinic phase without forming hexagonal phase, and led to largely enhancement of crystallinity. Also, N,N-Dimethylformamide (DMF) addition to the spray solution containing both CA and EG made it possible to effectively reduce the surface area of $SrAl_2O_4:Ho^{3+}$ powders. Consequently, the $SrAl_2O_4:Ho^{3+}$ powders prepared by using the spray solution containing CA/EG/DMF mixture as the organic additives showed about 168% improved luminescence compared to the phosphor prepared without organic additives. It was concluded that both the increased crystallinity of high-purity monoclinic phase and the decrease of surface area were attributed to the large enhancement of upconversion luminescence.

The Langmuir Adsorption Isotherms of the Electroadsorbed Hydrogens at the Single Crystal Pt(100)/Aqueous Electrolyte Interfaces (단결정 Pt(100)/수용액 계면에서 전가흡착된 수소의 Langmuir흡착등온식)

  • Chun Jang Ho;Jeon Sang Kyoo
    • Journal of the Korean Electrochemical Society
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    • v.4 no.1
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    • pp.14-20
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    • 2001
  • The Langmuir adsorption isotherms of the under-potentially deposited hydrogen (UPD H) and the over-potentially deposited hydrogen (OPD H) at the single crystal Pt(100)/0.5 M $H_2SO_4$ and 0.5 M LiOH aqueous electrolyte interfaces have been studied using the phase-shift method. The phase-shift profile $({-\varphi}\;vs.\;E)$ for the optimum intermediate frequency can be used as a useful method to estimate the Langmuir adsorption isotherm $(\theta\;vs.\;E)$ at the interfaces. The equilibrium constant (K) for the OPD H and the standard free energy $({\Delta}G_{ads})$ of the OPD H at the Pt(100)/0.5M $H_2SO_4$ aqueous electrolyte interface are $1.5\times10^{-4}$ and 21.8 kJ/mol, respectively. At the Pt(100)/0.5 LiOH aqueous electrolyte interface, K transits from 1.9(UPD H) to $6.8\times10^{-6}$(OPD H) depending on the cathode potential (E) and vice versa. Similarly, ${\Delta}G_{ads}$ transits -1.6 kJ/mol (UPD H) to 29.5 kJ/mol (OPD H) depending on E and vice versa. The transition of K and ${\Delta}G_{ads}$ is attributed to the two distinct adsorption sites of the UPD H and OPD H on the Pt(100) surface. The UPD H and the OPD H at the Pt(100) interfaces are the independent processes depending on the H adsorption sites rather than the sequential processes for the cathodic $H_2$ evolution reactions.

NiSO4 Supported on FeO-promoted ZrO2 Catalyst for Ethylene Dimerization

  • Sohn, Jong-Rack;Kim, Young-Tae;Shin, Dong-Cheol
    • Bulletin of the Korean Chemical Society
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    • v.26 no.11
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    • pp.1749-1756
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    • 2005
  • The $NiSO_4$ supported on FeO-promoted $ZrO_2$ catalysts were prepared by the impregnation method. FeOpromoted $ZrO_2$ was prepared by the coprecipitation method using a mixed aqueous solution of zirconium oxychloride and iron nitrate solution followed by adding an aqueous ammonia solution. The addition of nickel sulfate (or FeO) to $ZrO_2$ shifted the phase transition of $ZrO_2$ (from amorphous to tetragonal) to higher temperatures because of the interaction between nickel sulfate (or FeO) and $ZrO_2$. 10-$NiSO_4$/5-FeO-$ZrO_2$ containing 10 wt % $NiSO_4$ and 5 mol % FeO, and calcined at 500 ${^{\circ}C}$ exhibited a maximum catalytic activity for ethylene dimerization. $NiSO_4$/FeO-$ZrO_2$ catalysts was very effective for ethylene dimerization even at room temperature, but FeO-$ZrO_2$ without $NiSO_4$ did not exhibit any catalytic activity at all. The catalytic activities were correlated with the acidity of catalysts measured by the ammonia chemisorption method. The addition of FeO up to 5 mol % enhanced the acidity, surface area, thermal property, and catalytic activities of catalysts gradually, due to the interaction between FeO and $ZrO_2$ and due to consequent formation of Fe-O-Zr bond.

Production of Fe Amorphous Powders by Gas-atomization Process and Subsequent Spark Plasma Sintering of Fe Amorphous-ductile Cu Composite Powders Produced by Ball-milling Process (I) - I. Gas Atomization and Production of Composite Powders - (가스분무법에 의한 Fe계 비정질 분말의 제조와 볼밀링공정에 의한 연질 Cu 분말과의 복합화 및 SPS 거동 (I) - I. 가스분무 및 복합화 -)

  • Ryu, Ho-Jin;Lim, Jae-Hyun;Kim, Ji-Soon;Kim, Jin-Chun;Kim, H.J.
    • Journal of Powder Materials
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    • v.16 no.5
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    • pp.316-325
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    • 2009
  • Fe based (Fe$_{68.2}$C$_{5.9}$Si$_{3.5}$B$_{6.7}$P$_{9.6}$Cr$_{2.1}$Mo$_{2.0}$Al$_{2.0}$) amorphous powder, which is a composition of iron blast cast slag, were produced by a gas atomization process, and sequently mixed with ductile Cu powder by a mechanical ball milling process. The experiment results show that the as-prepared Fe amorphous powders less than 90 $\mu$m in size has a fully amorphous phase and its weight fraction was about 73.7%. The as-atomized amorphous Fe powders had a complete spherical shape with very clean surface. Differential scanning calorimetric results of the as-atomized Fe powders less than 90 $\mu$m showed that the glass transition, T$_g$, onset crystallization, T$_x$, and super-cooled liquid range $\Delta$T=T$_x$-T$_g$ were 512, 548 and 36$^{\circ}C$, respectively. Fe amorphous powders were mixed and deformed well with 10 wt.% Cu by using AGO-2 high energy ball mill under 500 rpm.